(5S,7R)-N-[4-(3,4-dimethylphenyl)-1,3-thiazol-2-yl]-3-oxidanyl-adamantane-1-carboxamide

Systemtic Name: (5S,7R)-N-[4-(3,4-dimethylphenyl)-1,3-thiazol-2-yl]-3-oxidanyl-adamantane-1-carboxamide Openeye Name: (5S,7R)-N-[4-(3,4-dimethylphenyl)thiazol-2-yl]-3-hydroxy-adamantane-1-carboxamide CAS Name: (5S,7R)-N-[4-(3,4-dimethylphenyl)-2-thiazolyl]-3-hydroxy-1-adamantanecarboxamide IUPAC Name: (5S,7R)-N-[4-(3,4-dimethylphenyl)-1,3-thiazol-2-yl]-3-hydroxyadamantane-1-carboxamide Traditional Name: (5S,7R)-N-[4-(3,4-dimethylphenyl)thiazol-2-yl]-3-hydroxy-adamantane-1-carboxamide Formula: C22H26N2O2S MolecularWeight: 382.51904

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C2=CSC(=N2)NC(=O)C34CC5CC(C3)CC(C5)(C4)O)C

Isomeric SMILES

CC1=C(C=C(C=C1)C2=CSC(=N2)NC(=O)C34C[C@H]5C[C@@H](C3)CC(C5)(C4)O)C

InChI

InChI=1S/C22H26N2O2S/c1-13-3-4-17(5-14(13)2)18-11-27-20(23-18)24-19(25)21-7-15-6-16(8-21)10-22(26,9-15)12-21/h3-5,11,15-16,26H,6-10,12H2,1-2H3,(H,23,24,25)/t15-,16+,21?,22?